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Boc-NH-PEG24-CH2CH2COOH

CAT: 0804-HY-140474-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140474-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Boc-NH-PEG24-CH2CH2COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2839118-68-0
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/boc-nh-peg24-ch2ch2cooh.html
Purity
96.0
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O
Molecular Formula
C56H111NO28
Molecular Weight
1246.47
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

t-Boc-N-amido-PEG24-acid
CAS Number2839118-68-0
PubChem CID75534949
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC56H111NO28
Molecular Weight1246.5
XLogP-3.1
Topological Polar Surface Area297
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count28
Rotatable Bond Count77
Heavy Atom Count85
Formal Charge0
Complexity1290
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C56H111NO28/c1-56(2,3)85-55(60)57-5-7-62-9-11-64-13-15-66-17-19-68-21-23-70-25-27-72-29-31-74-33-35-76-37-39-78-41-43-80-45-47-82-49-51-84-53-52-83-50-48-81-46-44-79-42-40-77-38-36-75-34-32-73-30-28-71-26-24-69-22-20-67-18-16-65-14-12-63-10-8-61-6-4-54(58)59/h4-53H2,1-3H3,(H,57,60)(H,58,59)
InChIKey
WSUNTMDDHZDAJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-N-amido-PEG24-acid
CAS: 2839118-68-0
CID: 75534949
Formula: C56H111NO28
MW: 1246.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1246.5
XLogP3-3.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count28
Rotatable Bond Count77
Exact Mass1245.72926188
Monoisotopic Mass1245.72926188
Topological Polar Surface Area297 Ų
Heavy Atom Count85
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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